USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 328 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 393 HIS HE2 : A 393 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 370 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.3) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 383 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 MET CE :methyl 171:sc= 0 (180deg=-0.11) USER MOD Single : A 395 CYS SG : rot 85:sc= 0.494 USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 CYS SG : rot 55:sc= -0.504 USER MOD Single : A 401 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= -0.0652 K(o=-0.065,f=-1.7!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot -99:sc= 0.166 USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -2.385 24.394 14.184 1.00 0.00 N ATOM 2 CA GLY A 363 -3.406 23.445 13.780 1.00 0.00 C ATOM 3 C GLY A 363 -3.756 23.560 12.310 1.00 0.00 C ATOM 4 O GLY A 363 -3.158 22.890 11.468 1.00 0.00 O ATOM 0 HA2 GLY A 363 -3.060 22.433 13.990 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -4.303 23.605 14.378 1.00 0.00 H new ATOM 8 N SER A 364 -4.730 24.410 12.000 1.00 0.00 N ATOM 9 CA SER A 364 -5.163 24.607 10.622 1.00 0.00 C ATOM 10 C SER A 364 -3.980 24.517 9.662 1.00 0.00 C ATOM 11 O SER A 364 -2.857 24.883 10.008 1.00 0.00 O ATOM 12 CB SER A 364 -5.854 25.963 10.471 1.00 0.00 C ATOM 13 OG SER A 364 -7.105 25.976 11.137 1.00 0.00 O ATOM 0 H SER A 364 -5.234 24.973 12.685 1.00 0.00 H new ATOM 0 HA SER A 364 -5.871 23.816 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 364 -5.215 26.747 10.876 1.00 0.00 H new ATOM 0 HB3 SER A 364 -5.999 26.185 9.414 1.00 0.00 H new ATOM 0 HG SER A 364 -7.525 26.854 11.027 1.00 0.00 H new ATOM 19 N SER A 365 -4.242 24.025 8.455 1.00 0.00 N ATOM 20 CA SER A 365 -3.199 23.883 7.446 1.00 0.00 C ATOM 21 C SER A 365 -2.499 25.215 7.195 1.00 0.00 C ATOM 22 O SER A 365 -2.960 26.264 7.642 1.00 0.00 O ATOM 23 CB SER A 365 -3.793 23.352 6.140 1.00 0.00 C ATOM 24 OG SER A 365 -4.789 24.227 5.640 1.00 0.00 O ATOM 0 H SER A 365 -5.167 23.718 8.153 1.00 0.00 H new ATOM 0 HA SER A 365 -2.463 23.171 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 365 -3.003 23.234 5.399 1.00 0.00 H new ATOM 0 HB3 SER A 365 -4.223 22.364 6.307 1.00 0.00 H new ATOM 0 HG SER A 365 -5.152 23.866 4.804 1.00 0.00 H new ATOM 30 N GLY A 366 -1.383 25.164 6.475 1.00 0.00 N ATOM 31 CA GLY A 366 -0.636 26.372 6.177 1.00 0.00 C ATOM 32 C GLY A 366 0.747 26.079 5.631 1.00 0.00 C ATOM 33 O GLY A 366 1.069 26.455 4.504 1.00 0.00 O ATOM 0 H GLY A 366 -0.983 24.307 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -1.190 26.969 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -0.546 26.972 7.082 1.00 0.00 H new ATOM 37 N SER A 367 1.568 25.407 6.432 1.00 0.00 N ATOM 38 CA SER A 367 2.927 25.069 6.025 1.00 0.00 C ATOM 39 C SER A 367 2.998 23.636 5.507 1.00 0.00 C ATOM 40 O SER A 367 3.599 23.369 4.467 1.00 0.00 O ATOM 41 CB SER A 367 3.893 25.248 7.197 1.00 0.00 C ATOM 42 OG SER A 367 4.215 26.615 7.388 1.00 0.00 O ATOM 0 H SER A 367 1.316 25.086 7.367 1.00 0.00 H new ATOM 0 HA SER A 367 3.217 25.743 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 367 3.445 24.846 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.804 24.679 7.012 1.00 0.00 H new ATOM 0 HG SER A 367 4.832 26.703 8.144 1.00 0.00 H new ATOM 48 N SER A 368 2.378 22.717 6.241 1.00 0.00 N ATOM 49 CA SER A 368 2.374 21.309 5.860 1.00 0.00 C ATOM 50 C SER A 368 1.630 21.106 4.544 1.00 0.00 C ATOM 51 O SER A 368 0.627 21.767 4.275 1.00 0.00 O ATOM 52 CB SER A 368 1.729 20.463 6.959 1.00 0.00 C ATOM 53 OG SER A 368 1.668 19.099 6.583 1.00 0.00 O ATOM 0 H SER A 368 1.872 22.922 7.103 1.00 0.00 H new ATOM 0 HA SER A 368 3.408 20.991 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 368 2.300 20.564 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 368 0.724 20.832 7.164 1.00 0.00 H new ATOM 0 HG SER A 368 1.253 18.579 7.303 1.00 0.00 H new ATOM 59 N GLY A 369 2.129 20.185 3.725 1.00 0.00 N ATOM 60 CA GLY A 369 1.501 19.909 2.446 1.00 0.00 C ATOM 61 C GLY A 369 2.487 19.403 1.413 1.00 0.00 C ATOM 62 O GLY A 369 3.335 20.155 0.935 1.00 0.00 O ATOM 0 H GLY A 369 2.958 19.625 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 369 0.713 19.169 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 369 1.025 20.817 2.075 1.00 0.00 H new ATOM 66 N GLN A 370 2.376 18.124 1.068 1.00 0.00 N ATOM 67 CA GLN A 370 3.267 17.517 0.086 1.00 0.00 C ATOM 68 C GLN A 370 2.616 17.485 -1.293 1.00 0.00 C ATOM 69 O GLN A 370 1.537 16.919 -1.467 1.00 0.00 O ATOM 70 CB GLN A 370 3.647 16.100 0.517 1.00 0.00 C ATOM 71 CG GLN A 370 5.018 15.662 0.029 1.00 0.00 C ATOM 72 CD GLN A 370 5.113 14.163 -0.176 1.00 0.00 C ATOM 73 OE1 GLN A 370 4.222 13.412 0.223 1.00 0.00 O ATOM 74 NE2 GLN A 370 6.197 13.718 -0.802 1.00 0.00 N ATOM 0 H GLN A 370 1.678 17.488 1.454 1.00 0.00 H new ATOM 0 HA GLN A 370 4.170 18.125 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 370 3.622 16.041 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 370 2.898 15.402 0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 370 5.244 16.168 -0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 370 5.773 15.975 0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 370 6.911 14.376 -1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 370 6.315 12.719 -0.969 1.00 0.00 H new ATOM 83 N ASP A 371 3.279 18.095 -2.269 1.00 0.00 N ATOM 84 CA ASP A 371 2.765 18.136 -3.633 1.00 0.00 C ATOM 85 C ASP A 371 2.914 16.777 -4.310 1.00 0.00 C ATOM 86 O ASP A 371 3.973 16.452 -4.846 1.00 0.00 O ATOM 87 CB ASP A 371 3.495 19.207 -4.444 1.00 0.00 C ATOM 88 CG ASP A 371 2.745 19.591 -5.704 1.00 0.00 C ATOM 89 OD1 ASP A 371 1.560 19.970 -5.597 1.00 0.00 O ATOM 90 OD2 ASP A 371 3.342 19.512 -6.798 1.00 0.00 O ATOM 0 H ASP A 371 4.174 18.568 -2.141 1.00 0.00 H new ATOM 0 HA ASP A 371 1.705 18.386 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 371 3.637 20.093 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 371 4.487 18.843 -4.712 1.00 0.00 H new ATOM 95 N GLY A 372 1.846 15.986 -4.281 1.00 0.00 N ATOM 96 CA GLY A 372 1.880 14.671 -4.895 1.00 0.00 C ATOM 97 C GLY A 372 0.843 13.732 -4.311 1.00 0.00 C ATOM 98 O GLY A 372 0.735 13.595 -3.093 1.00 0.00 O ATOM 0 H GLY A 372 0.958 16.232 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 372 1.713 14.770 -5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 372 2.872 14.238 -4.765 1.00 0.00 H new ATOM 102 N GLY A 373 0.076 13.084 -5.182 1.00 0.00 N ATOM 103 CA GLY A 373 -0.949 12.163 -4.727 1.00 0.00 C ATOM 104 C GLY A 373 -0.393 11.073 -3.832 1.00 0.00 C ATOM 105 O GLY A 373 0.620 10.453 -4.154 1.00 0.00 O ATOM 0 H GLY A 373 0.146 13.180 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -1.716 12.717 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -1.433 11.708 -5.591 1.00 0.00 H new ATOM 109 N ARG A 374 -1.056 10.841 -2.704 1.00 0.00 N ATOM 110 CA ARG A 374 -0.620 9.820 -1.758 1.00 0.00 C ATOM 111 C ARG A 374 -0.455 8.471 -2.451 1.00 0.00 C ATOM 112 O ARG A 374 -1.132 8.181 -3.438 1.00 0.00 O ATOM 113 CB ARG A 374 -1.624 9.697 -0.610 1.00 0.00 C ATOM 114 CG ARG A 374 -2.903 8.972 -0.995 1.00 0.00 C ATOM 115 CD ARG A 374 -3.912 9.919 -1.626 1.00 0.00 C ATOM 116 NE ARG A 374 -4.310 10.984 -0.709 1.00 0.00 N ATOM 117 CZ ARG A 374 -5.461 11.641 -0.802 1.00 0.00 C ATOM 118 NH1 ARG A 374 -6.322 11.343 -1.766 1.00 0.00 N ATOM 119 NH2 ARG A 374 -5.753 12.597 0.070 1.00 0.00 N ATOM 0 H ARG A 374 -1.897 11.346 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 374 0.347 10.122 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -1.152 9.169 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -1.876 10.695 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -2.671 8.168 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -3.341 8.509 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -3.483 10.358 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -4.794 9.357 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 374 -3.670 11.237 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -6.101 10.608 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -7.205 11.849 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -5.094 12.828 0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -6.637 13.101 -0.002 1.00 0.00 H new ATOM 133 N LYS A 375 0.449 7.650 -1.929 1.00 0.00 N ATOM 134 CA LYS A 375 0.704 6.331 -2.496 1.00 0.00 C ATOM 135 C LYS A 375 0.204 5.232 -1.563 1.00 0.00 C ATOM 136 O LYS A 375 0.786 4.993 -0.504 1.00 0.00 O ATOM 137 CB LYS A 375 2.200 6.148 -2.762 1.00 0.00 C ATOM 138 CG LYS A 375 2.687 6.862 -4.010 1.00 0.00 C ATOM 139 CD LYS A 375 2.535 5.992 -5.247 1.00 0.00 C ATOM 140 CE LYS A 375 3.536 6.376 -6.325 1.00 0.00 C ATOM 141 NZ LYS A 375 3.816 5.243 -7.251 1.00 0.00 N ATOM 0 H LYS A 375 1.018 7.875 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 375 0.162 6.257 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.761 6.514 -1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.417 5.084 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 375 2.126 7.787 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 375 3.734 7.140 -3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 375 2.674 4.945 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 375 1.522 6.088 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 375 3.151 7.223 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 375 4.466 6.702 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 4.503 5.545 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 4.207 4.444 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 2.934 4.949 -7.716 1.00 0.00 H new ATOM 155 N ILE A 376 -0.874 4.567 -1.964 1.00 0.00 N ATOM 156 CA ILE A 376 -1.449 3.493 -1.164 1.00 0.00 C ATOM 157 C ILE A 376 -1.887 2.327 -2.044 1.00 0.00 C ATOM 158 O ILE A 376 -2.684 2.496 -2.967 1.00 0.00 O ATOM 159 CB ILE A 376 -2.656 3.984 -0.344 1.00 0.00 C ATOM 160 CG1 ILE A 376 -2.214 5.038 0.673 1.00 0.00 C ATOM 161 CG2 ILE A 376 -3.333 2.815 0.355 1.00 0.00 C ATOM 162 CD1 ILE A 376 -3.366 5.705 1.392 1.00 0.00 C ATOM 0 H ILE A 376 -1.367 4.753 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.669 3.157 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.376 4.441 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.560 4.570 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.625 5.800 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -4.184 3.179 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.678 2.097 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -2.623 2.331 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.978 6.440 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -4.009 6.203 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.942 4.953 1.932 1.00 0.00 H new ATOM 174 N CYS A 377 -1.361 1.142 -1.752 1.00 0.00 N ATOM 175 CA CYS A 377 -1.698 -0.054 -2.515 1.00 0.00 C ATOM 176 C CYS A 377 -3.210 -0.192 -2.670 1.00 0.00 C ATOM 177 O CYS A 377 -3.941 -0.417 -1.705 1.00 0.00 O ATOM 178 CB CYS A 377 -1.130 -1.298 -1.830 1.00 0.00 C ATOM 179 SG CYS A 377 -0.922 -2.728 -2.940 1.00 0.00 S ATOM 0 H CYS A 377 -0.699 0.984 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.255 0.041 -3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.164 -1.049 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.790 -1.581 -1.010 1.00 0.00 H new ATOM 184 N PRO A 378 -3.692 -0.053 -3.915 1.00 0.00 N ATOM 185 CA PRO A 378 -5.120 -0.159 -4.227 1.00 0.00 C ATOM 186 C PRO A 378 -5.642 -1.584 -4.078 1.00 0.00 C ATOM 187 O PRO A 378 -6.804 -1.864 -4.374 1.00 0.00 O ATOM 188 CB PRO A 378 -5.198 0.289 -5.688 1.00 0.00 C ATOM 189 CG PRO A 378 -3.845 0.004 -6.245 1.00 0.00 C ATOM 190 CD PRO A 378 -2.879 0.217 -5.112 1.00 0.00 C ATOM 0 HA PRO A 378 -5.730 0.439 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -5.972 -0.257 -6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.442 1.348 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -3.785 -1.017 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.619 0.667 -7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.026 -0.458 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.482 1.232 -5.108 1.00 0.00 H new ATOM 198 N ARG A 379 -4.776 -2.481 -3.618 1.00 0.00 N ATOM 199 CA ARG A 379 -5.150 -3.878 -3.430 1.00 0.00 C ATOM 200 C ARG A 379 -5.359 -4.191 -1.952 1.00 0.00 C ATOM 201 O ARG A 379 -6.380 -4.761 -1.565 1.00 0.00 O ATOM 202 CB ARG A 379 -4.075 -4.798 -4.011 1.00 0.00 C ATOM 203 CG ARG A 379 -4.479 -6.263 -4.042 1.00 0.00 C ATOM 204 CD ARG A 379 -5.554 -6.522 -5.087 1.00 0.00 C ATOM 205 NE ARG A 379 -4.983 -6.857 -6.388 1.00 0.00 N ATOM 206 CZ ARG A 379 -5.635 -6.713 -7.536 1.00 0.00 C ATOM 207 NH1 ARG A 379 -6.875 -6.243 -7.543 1.00 0.00 N ATOM 208 NH2 ARG A 379 -5.048 -7.040 -8.680 1.00 0.00 N ATOM 0 H ARG A 379 -3.811 -2.266 -3.369 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.089 -4.051 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -3.840 -4.473 -5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.163 -4.694 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -3.605 -6.878 -4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -4.845 -6.562 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -6.196 -7.337 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -6.185 -5.639 -5.185 1.00 0.00 H new ATOM 0 HE ARG A 379 -4.031 -7.222 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -7.330 -5.991 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -7.374 -6.133 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -4.095 -7.403 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -5.550 -6.929 -9.561 1.00 0.00 H new ATOM 222 N CYS A 380 -4.385 -3.816 -1.129 1.00 0.00 N ATOM 223 CA CYS A 380 -4.461 -4.058 0.306 1.00 0.00 C ATOM 224 C CYS A 380 -4.239 -2.765 1.087 1.00 0.00 C ATOM 225 O CYS A 380 -3.825 -2.792 2.245 1.00 0.00 O ATOM 226 CB CYS A 380 -3.424 -5.103 0.724 1.00 0.00 C ATOM 227 SG CYS A 380 -1.697 -4.555 0.533 1.00 0.00 S ATOM 0 H CYS A 380 -3.534 -3.343 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.458 -4.434 0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.595 -5.372 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.575 -6.006 0.132 1.00 0.00 H new ATOM 232 N ASN A 381 -4.519 -1.637 0.444 1.00 0.00 N ATOM 233 CA ASN A 381 -4.351 -0.334 1.078 1.00 0.00 C ATOM 234 C ASN A 381 -3.109 -0.317 1.964 1.00 0.00 C ATOM 235 O ASN A 381 -3.047 0.420 2.948 1.00 0.00 O ATOM 236 CB ASN A 381 -5.588 0.017 1.907 1.00 0.00 C ATOM 237 CG ASN A 381 -6.824 0.209 1.049 1.00 0.00 C ATOM 238 OD1 ASN A 381 -7.022 1.270 0.456 1.00 0.00 O ATOM 239 ND2 ASN A 381 -7.662 -0.818 0.980 1.00 0.00 N ATOM 0 H ASN A 381 -4.863 -1.598 -0.515 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.226 0.411 0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.772 -0.775 2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.396 0.929 2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -8.511 -0.747 0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -7.457 -1.678 1.488 1.00 0.00 H new ATOM 246 N ALA A 382 -2.123 -1.133 1.608 1.00 0.00 N ATOM 247 CA ALA A 382 -0.882 -1.210 2.369 1.00 0.00 C ATOM 248 C ALA A 382 -0.239 0.165 2.510 1.00 0.00 C ATOM 249 O ALA A 382 -0.146 0.919 1.541 1.00 0.00 O ATOM 250 CB ALA A 382 0.083 -2.182 1.707 1.00 0.00 C ATOM 0 H ALA A 382 -2.159 -1.751 0.797 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.119 -1.575 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 382 1.005 -2.230 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.370 -3.172 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.306 -1.841 0.696 1.00 0.00 H new ATOM 256 N GLN A 383 0.204 0.485 3.722 1.00 0.00 N ATOM 257 CA GLN A 383 0.838 1.771 3.988 1.00 0.00 C ATOM 258 C GLN A 383 2.350 1.679 3.812 1.00 0.00 C ATOM 259 O GLN A 383 3.004 0.821 4.406 1.00 0.00 O ATOM 260 CB GLN A 383 0.505 2.243 5.404 1.00 0.00 C ATOM 261 CG GLN A 383 -0.860 2.903 5.520 1.00 0.00 C ATOM 262 CD GLN A 383 -1.104 3.501 6.892 1.00 0.00 C ATOM 263 OE1 GLN A 383 -0.163 3.810 7.624 1.00 0.00 O ATOM 264 NE2 GLN A 383 -2.372 3.668 7.248 1.00 0.00 N ATOM 0 H GLN A 383 0.136 -0.128 4.534 1.00 0.00 H new ATOM 0 HA GLN A 383 0.451 2.495 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.546 1.390 6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.269 2.948 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -0.946 3.686 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -1.635 2.167 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -3.121 3.398 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -2.598 4.066 8.160 1.00 0.00 H new ATOM 273 N PHE A 384 2.900 2.568 2.992 1.00 0.00 N ATOM 274 CA PHE A 384 4.336 2.587 2.736 1.00 0.00 C ATOM 275 C PHE A 384 4.879 4.012 2.790 1.00 0.00 C ATOM 276 O PHE A 384 4.119 4.974 2.900 1.00 0.00 O ATOM 277 CB PHE A 384 4.641 1.964 1.373 1.00 0.00 C ATOM 278 CG PHE A 384 4.482 0.471 1.347 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.318 -0.341 2.098 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.498 -0.122 0.572 1.00 0.00 C ATOM 281 CE1 PHE A 384 5.175 -1.715 2.077 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.350 -1.496 0.548 1.00 0.00 C ATOM 283 CZ PHE A 384 4.190 -2.294 1.300 1.00 0.00 C ATOM 0 H PHE A 384 2.373 3.285 2.493 1.00 0.00 H new ATOM 0 HA PHE A 384 4.826 2.000 3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 384 3.981 2.405 0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.662 2.218 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.090 0.106 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 384 2.839 0.496 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 384 5.833 -2.336 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 384 2.578 -1.946 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 384 4.077 -3.368 1.281 1.00 0.00 H new ATOM 293 N ARG A 385 6.200 4.139 2.711 1.00 0.00 N ATOM 294 CA ARG A 385 6.846 5.445 2.753 1.00 0.00 C ATOM 295 C ARG A 385 7.642 5.698 1.476 1.00 0.00 C ATOM 296 O ARG A 385 7.607 6.795 0.917 1.00 0.00 O ATOM 297 CB ARG A 385 7.768 5.543 3.969 1.00 0.00 C ATOM 298 CG ARG A 385 8.615 6.805 3.991 1.00 0.00 C ATOM 299 CD ARG A 385 9.122 7.112 5.391 1.00 0.00 C ATOM 300 NE ARG A 385 10.283 7.997 5.372 1.00 0.00 N ATOM 301 CZ ARG A 385 11.037 8.244 6.437 1.00 0.00 C ATOM 302 NH1 ARG A 385 10.754 7.675 7.600 1.00 0.00 N ATOM 303 NH2 ARG A 385 12.078 9.061 6.340 1.00 0.00 N ATOM 0 H ARG A 385 6.843 3.353 2.618 1.00 0.00 H new ATOM 0 HA ARG A 385 6.069 6.205 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 385 7.165 5.505 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.426 4.674 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 385 9.461 6.688 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 385 8.027 7.646 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 385 8.324 7.574 5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 385 9.384 6.181 5.894 1.00 0.00 H new ATOM 0 HE ARG A 385 10.529 8.451 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 385 9.955 7.045 7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 385 11.335 7.867 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 385 12.300 9.500 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 385 12.656 9.250 7.159 1.00 0.00 H new ATOM 317 N VAL A 386 8.359 4.677 1.019 1.00 0.00 N ATOM 318 CA VAL A 386 9.163 4.788 -0.192 1.00 0.00 C ATOM 319 C VAL A 386 8.477 4.109 -1.372 1.00 0.00 C ATOM 320 O VAL A 386 7.640 3.224 -1.193 1.00 0.00 O ATOM 321 CB VAL A 386 10.559 4.167 0.002 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.327 4.909 1.086 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.442 2.688 0.337 1.00 0.00 C ATOM 0 H VAL A 386 8.400 3.763 1.469 1.00 0.00 H new ATOM 0 HA VAL A 386 9.272 5.852 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 386 11.113 4.261 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.311 4.456 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.442 5.954 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 386 10.779 4.848 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.438 2.265 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.870 2.567 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 386 9.934 2.170 -0.476 1.00 0.00 H new ATOM 333 N THR A 387 8.838 4.528 -2.581 1.00 0.00 N ATOM 334 CA THR A 387 8.257 3.961 -3.791 1.00 0.00 C ATOM 335 C THR A 387 8.706 2.519 -3.994 1.00 0.00 C ATOM 336 O THR A 387 7.882 1.620 -4.157 1.00 0.00 O ATOM 337 CB THR A 387 8.637 4.785 -5.036 1.00 0.00 C ATOM 338 OG1 THR A 387 8.291 6.160 -4.838 1.00 0.00 O ATOM 339 CG2 THR A 387 7.931 4.253 -6.274 1.00 0.00 C ATOM 0 H THR A 387 9.530 5.258 -2.748 1.00 0.00 H new ATOM 0 HA THR A 387 7.175 3.987 -3.663 1.00 0.00 H new ATOM 0 HB THR A 387 9.713 4.699 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.537 6.677 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 387 8.215 4.851 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 387 8.219 3.215 -6.439 1.00 0.00 H new ATOM 0 HG23 THR A 387 6.852 4.312 -6.131 1.00 0.00 H new ATOM 347 N GLU A 388 10.018 2.305 -3.981 1.00 0.00 N ATOM 348 CA GLU A 388 10.576 0.971 -4.163 1.00 0.00 C ATOM 349 C GLU A 388 9.760 -0.069 -3.401 1.00 0.00 C ATOM 350 O GLU A 388 9.467 -1.146 -3.920 1.00 0.00 O ATOM 351 CB GLU A 388 12.033 0.934 -3.696 1.00 0.00 C ATOM 352 CG GLU A 388 12.214 1.314 -2.236 1.00 0.00 C ATOM 353 CD GLU A 388 13.629 1.084 -1.744 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.566 1.651 -2.344 1.00 0.00 O ATOM 355 OE2 GLU A 388 13.800 0.337 -0.759 1.00 0.00 O ATOM 0 H GLU A 388 10.714 3.039 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 388 10.537 0.731 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.431 -0.068 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.621 1.612 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 388 11.953 2.364 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 388 11.522 0.734 -1.625 1.00 0.00 H new ATOM 362 N ALA A 389 9.397 0.262 -2.166 1.00 0.00 N ATOM 363 CA ALA A 389 8.614 -0.641 -1.332 1.00 0.00 C ATOM 364 C ALA A 389 7.316 -1.043 -2.026 1.00 0.00 C ATOM 365 O ALA A 389 6.881 -2.191 -1.934 1.00 0.00 O ATOM 366 CB ALA A 389 8.317 0.006 0.013 1.00 0.00 C ATOM 0 H ALA A 389 9.633 1.149 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 389 9.202 -1.544 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.732 -0.680 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.254 0.236 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.753 0.926 -0.142 1.00 0.00 H new ATOM 372 N LEU A 390 6.703 -0.090 -2.719 1.00 0.00 N ATOM 373 CA LEU A 390 5.453 -0.345 -3.428 1.00 0.00 C ATOM 374 C LEU A 390 5.700 -1.172 -4.686 1.00 0.00 C ATOM 375 O LEU A 390 4.983 -2.136 -4.957 1.00 0.00 O ATOM 376 CB LEU A 390 4.776 0.976 -3.798 1.00 0.00 C ATOM 377 CG LEU A 390 3.991 1.663 -2.680 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.792 3.138 -2.995 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.650 0.976 -2.469 1.00 0.00 C ATOM 0 H LEU A 390 7.050 0.865 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 390 4.797 -0.910 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.541 1.666 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.098 0.793 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 390 4.566 1.584 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 390 3.231 3.610 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.763 3.623 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 390 3.239 3.239 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.105 1.479 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.068 1.023 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.814 -0.067 -2.196 1.00 0.00 H new ATOM 391 N ARG A 391 6.719 -0.790 -5.448 1.00 0.00 N ATOM 392 CA ARG A 391 7.061 -1.498 -6.677 1.00 0.00 C ATOM 393 C ARG A 391 7.104 -3.005 -6.442 1.00 0.00 C ATOM 394 O ARG A 391 6.445 -3.771 -7.144 1.00 0.00 O ATOM 395 CB ARG A 391 8.411 -1.015 -7.209 1.00 0.00 C ATOM 396 CG ARG A 391 8.728 -1.516 -8.609 1.00 0.00 C ATOM 397 CD ARG A 391 10.209 -1.376 -8.929 1.00 0.00 C ATOM 398 NE ARG A 391 10.519 -0.082 -9.529 1.00 0.00 N ATOM 399 CZ ARG A 391 10.741 1.021 -8.822 1.00 0.00 C ATOM 400 NH1 ARG A 391 10.686 0.987 -7.498 1.00 0.00 N ATOM 401 NH2 ARG A 391 11.018 2.162 -9.441 1.00 0.00 N ATOM 0 H ARG A 391 7.322 0.005 -5.237 1.00 0.00 H new ATOM 0 HA ARG A 391 6.289 -1.285 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.422 0.075 -7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.198 -1.341 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 391 8.433 -2.561 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 391 8.143 -0.956 -9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 391 10.791 -1.501 -8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 391 10.510 -2.173 -9.610 1.00 0.00 H new ATOM 0 HE ARG A 391 10.568 -0.021 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 391 10.473 0.112 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 391 10.857 1.836 -6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 391 11.060 2.192 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 391 11.188 3.008 -8.898 1.00 0.00 H new ATOM 415 N GLY A 392 7.884 -3.423 -5.450 1.00 0.00 N ATOM 416 CA GLY A 392 7.999 -4.836 -5.142 1.00 0.00 C ATOM 417 C GLY A 392 6.752 -5.388 -4.480 1.00 0.00 C ATOM 418 O GLY A 392 6.135 -6.326 -4.986 1.00 0.00 O ATOM 0 H GLY A 392 8.438 -2.808 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.195 -5.390 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.855 -4.993 -4.486 1.00 0.00 H new ATOM 422 N HIS A 393 6.380 -4.807 -3.344 1.00 0.00 N ATOM 423 CA HIS A 393 5.199 -5.247 -2.610 1.00 0.00 C ATOM 424 C HIS A 393 4.032 -5.498 -3.561 1.00 0.00 C ATOM 425 O HIS A 393 3.396 -6.551 -3.514 1.00 0.00 O ATOM 426 CB HIS A 393 4.804 -4.205 -1.564 1.00 0.00 C ATOM 427 CG HIS A 393 3.385 -4.329 -1.100 1.00 0.00 C ATOM 428 ND1 HIS A 393 3.005 -5.134 -0.047 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.252 -3.743 -1.552 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.699 -5.039 0.127 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.218 -4.200 -0.773 1.00 0.00 N ATOM 0 H HIS A 393 6.880 -4.030 -2.912 1.00 0.00 H new ATOM 0 HA HIS A 393 5.443 -6.182 -2.105 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.468 -4.296 -0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 393 4.956 -3.209 -1.980 1.00 0.00 H new ATOM 0 HD1 HIS A 393 3.634 -5.712 0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.175 -3.045 -2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 393 1.122 -5.559 0.878 1.00 0.00 H new ATOM 439 N MET A 394 3.756 -4.524 -4.422 1.00 0.00 N ATOM 440 CA MET A 394 2.666 -4.640 -5.383 1.00 0.00 C ATOM 441 C MET A 394 2.927 -5.776 -6.366 1.00 0.00 C ATOM 442 O MET A 394 2.069 -6.635 -6.579 1.00 0.00 O ATOM 443 CB MET A 394 2.485 -3.324 -6.143 1.00 0.00 C ATOM 444 CG MET A 394 2.017 -2.175 -5.264 1.00 0.00 C ATOM 445 SD MET A 394 2.094 -0.582 -6.106 1.00 0.00 S ATOM 446 CE MET A 394 0.816 -0.790 -7.343 1.00 0.00 C ATOM 0 H MET A 394 4.272 -3.646 -4.474 1.00 0.00 H new ATOM 0 HA MET A 394 1.752 -4.862 -4.833 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.431 -3.051 -6.611 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.763 -3.474 -6.946 1.00 0.00 H new ATOM 0 HG2 MET A 394 0.993 -2.363 -4.942 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.632 -2.137 -4.365 1.00 0.00 H new ATOM 0 HE1 MET A 394 0.631 0.163 -7.839 1.00 0.00 H new ATOM 0 HE2 MET A 394 1.139 -1.526 -8.079 1.00 0.00 H new ATOM 0 HE3 MET A 394 -0.101 -1.133 -6.864 1.00 0.00 H new ATOM 456 N CYS A 395 4.113 -5.776 -6.963 1.00 0.00 N ATOM 457 CA CYS A 395 4.486 -6.807 -7.925 1.00 0.00 C ATOM 458 C CYS A 395 4.012 -8.180 -7.461 1.00 0.00 C ATOM 459 O CYS A 395 3.497 -8.970 -8.253 1.00 0.00 O ATOM 460 CB CYS A 395 6.002 -6.819 -8.129 1.00 0.00 C ATOM 461 SG CYS A 395 6.582 -5.702 -9.427 1.00 0.00 S ATOM 0 H CYS A 395 4.834 -5.073 -6.798 1.00 0.00 H new ATOM 0 HA CYS A 395 4.001 -6.577 -8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.486 -6.550 -7.190 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.317 -7.834 -8.371 1.00 0.00 H new ATOM 0 HG CYS A 395 6.727 -4.506 -8.938 1.00 0.00 H new ATOM 467 N TYR A 396 4.190 -8.458 -6.175 1.00 0.00 N ATOM 468 CA TYR A 396 3.784 -9.738 -5.606 1.00 0.00 C ATOM 469 C TYR A 396 2.319 -9.705 -5.181 1.00 0.00 C ATOM 470 O TYR A 396 1.515 -10.531 -5.615 1.00 0.00 O ATOM 471 CB TYR A 396 4.667 -10.091 -4.408 1.00 0.00 C ATOM 472 CG TYR A 396 6.141 -10.147 -4.738 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.687 -11.249 -5.383 1.00 0.00 C ATOM 474 CD2 TYR A 396 6.988 -9.098 -4.403 1.00 0.00 C ATOM 475 CE1 TYR A 396 8.034 -11.306 -5.686 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.336 -9.144 -4.704 1.00 0.00 C ATOM 477 CZ TYR A 396 8.854 -10.250 -5.345 1.00 0.00 C ATOM 478 OH TYR A 396 10.196 -10.301 -5.644 1.00 0.00 O ATOM 0 H TYR A 396 4.613 -7.814 -5.506 1.00 0.00 H new ATOM 0 HA TYR A 396 3.903 -10.502 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.507 -9.355 -3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.355 -11.057 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 396 6.047 -12.076 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 396 6.586 -8.232 -3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 396 8.442 -12.172 -6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 396 8.980 -8.319 -4.439 1.00 0.00 H new ATOM 0 HH TYR A 396 10.631 -9.478 -5.338 1.00 0.00 H new ATOM 488 N CYS A 397 1.979 -8.744 -4.329 1.00 0.00 N ATOM 489 CA CYS A 397 0.612 -8.600 -3.843 1.00 0.00 C ATOM 490 C CYS A 397 -0.364 -8.439 -5.005 1.00 0.00 C ATOM 491 O CYS A 397 -1.171 -9.329 -5.280 1.00 0.00 O ATOM 492 CB CYS A 397 0.506 -7.398 -2.903 1.00 0.00 C ATOM 493 SG CYS A 397 -1.177 -6.716 -2.755 1.00 0.00 S ATOM 0 H CYS A 397 2.632 -8.053 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 397 0.351 -9.505 -3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 397 0.856 -7.692 -1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.175 -6.613 -3.257 1.00 0.00 H new ATOM 498 N CYS A 398 -0.284 -7.300 -5.683 1.00 0.00 N ATOM 499 CA CYS A 398 -1.161 -7.021 -6.816 1.00 0.00 C ATOM 500 C CYS A 398 -0.361 -6.921 -8.110 1.00 0.00 C ATOM 501 O CYS A 398 -0.040 -5.832 -8.588 1.00 0.00 O ATOM 502 CB CYS A 398 -1.937 -5.724 -6.580 1.00 0.00 C ATOM 503 SG CYS A 398 -0.892 -4.256 -6.430 1.00 0.00 S ATOM 0 H CYS A 398 0.378 -6.555 -5.469 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.867 -7.846 -6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.636 -5.577 -7.403 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -2.531 -5.829 -5.672 1.00 0.00 H new ATOM 0 HG CYS A 398 -0.124 -4.161 -7.475 1.00 0.00 H new ATOM 509 N PRO A 399 -0.029 -8.083 -8.693 1.00 0.00 N ATOM 510 CA PRO A 399 0.739 -8.152 -9.939 1.00 0.00 C ATOM 511 C PRO A 399 -0.063 -7.666 -11.142 1.00 0.00 C ATOM 512 O PRO A 399 0.430 -7.668 -12.269 1.00 0.00 O ATOM 513 CB PRO A 399 1.058 -9.643 -10.077 1.00 0.00 C ATOM 514 CG PRO A 399 -0.023 -10.333 -9.318 1.00 0.00 C ATOM 515 CD PRO A 399 -0.378 -9.418 -8.179 1.00 0.00 C ATOM 0 HA PRO A 399 1.622 -7.514 -9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.066 -9.951 -11.123 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.041 -9.877 -9.668 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.889 -10.519 -9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.316 -11.301 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.435 -9.486 -7.923 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.185 -9.661 -7.278 1.00 0.00 H new ATOM 523 N GLU A 400 -1.301 -7.250 -10.893 1.00 0.00 N ATOM 524 CA GLU A 400 -2.170 -6.761 -11.957 1.00 0.00 C ATOM 525 C GLU A 400 -2.010 -5.255 -12.141 1.00 0.00 C ATOM 526 O GLU A 400 -1.873 -4.767 -13.263 1.00 0.00 O ATOM 527 CB GLU A 400 -3.630 -7.096 -11.647 1.00 0.00 C ATOM 528 CG GLU A 400 -3.940 -8.583 -11.709 1.00 0.00 C ATOM 529 CD GLU A 400 -4.050 -9.097 -13.131 1.00 0.00 C ATOM 530 OE1 GLU A 400 -2.999 -9.268 -13.784 1.00 0.00 O ATOM 531 OE2 GLU A 400 -5.187 -9.329 -13.592 1.00 0.00 O ATOM 0 H GLU A 400 -1.724 -7.242 -9.965 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.880 -7.255 -12.884 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.876 -6.723 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.273 -6.570 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.159 -9.135 -11.186 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.875 -8.778 -11.183 1.00 0.00 H new ATOM 538 N MET A 401 -2.030 -4.524 -11.032 1.00 0.00 N ATOM 539 CA MET A 401 -1.887 -3.073 -11.070 1.00 0.00 C ATOM 540 C MET A 401 -0.417 -2.674 -11.145 1.00 0.00 C ATOM 541 O MET A 401 0.024 -1.757 -10.451 1.00 0.00 O ATOM 542 CB MET A 401 -2.537 -2.442 -9.837 1.00 0.00 C ATOM 543 CG MET A 401 -2.666 -0.930 -9.924 1.00 0.00 C ATOM 544 SD MET A 401 -4.171 -0.409 -10.769 1.00 0.00 S ATOM 545 CE MET A 401 -3.491 0.609 -12.076 1.00 0.00 C ATOM 0 H MET A 401 -2.144 -4.912 -10.096 1.00 0.00 H new ATOM 0 HA MET A 401 -2.391 -2.706 -11.964 1.00 0.00 H new ATOM 0 HB2 MET A 401 -3.527 -2.875 -9.697 1.00 0.00 H new ATOM 0 HB3 MET A 401 -1.949 -2.698 -8.956 1.00 0.00 H new ATOM 0 HG2 MET A 401 -2.655 -0.510 -8.918 1.00 0.00 H new ATOM 0 HG3 MET A 401 -1.801 -0.525 -10.449 1.00 0.00 H new ATOM 0 HE1 MET A 401 -4.302 1.006 -12.687 1.00 0.00 H new ATOM 0 HE2 MET A 401 -2.929 1.434 -11.639 1.00 0.00 H new ATOM 0 HE3 MET A 401 -2.828 0.008 -12.698 1.00 0.00 H new ATOM 555 N VAL A 402 0.338 -3.368 -11.991 1.00 0.00 N ATOM 556 CA VAL A 402 1.759 -3.084 -12.156 1.00 0.00 C ATOM 557 C VAL A 402 2.085 -2.739 -13.605 1.00 0.00 C ATOM 558 O VAL A 402 1.853 -3.539 -14.511 1.00 0.00 O ATOM 559 CB VAL A 402 2.624 -4.281 -11.719 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.100 -3.974 -11.919 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.338 -4.642 -10.269 1.00 0.00 C ATOM 0 H VAL A 402 -0.010 -4.130 -12.572 1.00 0.00 H new ATOM 0 HA VAL A 402 1.987 -2.228 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 402 2.369 -5.139 -12.341 1.00 0.00 H new ATOM 0 HG11 VAL A 402 4.696 -4.831 -11.605 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.289 -3.767 -12.972 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.375 -3.103 -11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.957 -5.490 -9.976 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.565 -3.789 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.286 -4.907 -10.161 1.00 0.00 H new ATOM 571 N GLU A 403 2.623 -1.542 -13.815 1.00 0.00 N ATOM 572 CA GLU A 403 2.981 -1.090 -15.155 1.00 0.00 C ATOM 573 C GLU A 403 4.314 -1.689 -15.593 1.00 0.00 C ATOM 574 O GLU A 403 4.537 -1.934 -16.779 1.00 0.00 O ATOM 575 CB GLU A 403 3.056 0.437 -15.199 1.00 0.00 C ATOM 576 CG GLU A 403 4.129 1.020 -14.295 1.00 0.00 C ATOM 577 CD GLU A 403 3.690 1.100 -12.846 1.00 0.00 C ATOM 578 OE1 GLU A 403 3.113 2.137 -12.456 1.00 0.00 O ATOM 579 OE2 GLU A 403 3.924 0.126 -12.101 1.00 0.00 O ATOM 0 H GLU A 403 2.821 -0.868 -13.075 1.00 0.00 H new ATOM 0 HA GLU A 403 2.207 -1.428 -15.844 1.00 0.00 H new ATOM 0 HB2 GLU A 403 3.246 0.754 -16.225 1.00 0.00 H new ATOM 0 HB3 GLU A 403 2.088 0.848 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 403 5.029 0.409 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 403 4.393 2.018 -14.647 1.00 0.00 H new ATOM 586 N TYR A 404 5.197 -1.922 -14.628 1.00 0.00 N ATOM 587 CA TYR A 404 6.510 -2.489 -14.913 1.00 0.00 C ATOM 588 C TYR A 404 6.389 -3.938 -15.373 1.00 0.00 C ATOM 589 O TYR A 404 5.797 -4.771 -14.686 1.00 0.00 O ATOM 590 CB TYR A 404 7.403 -2.408 -13.675 1.00 0.00 C ATOM 591 CG TYR A 404 8.869 -2.632 -13.970 1.00 0.00 C ATOM 592 CD1 TYR A 404 9.631 -1.651 -14.592 1.00 0.00 C ATOM 593 CD2 TYR A 404 9.493 -3.825 -13.626 1.00 0.00 C ATOM 594 CE1 TYR A 404 10.970 -1.852 -14.865 1.00 0.00 C ATOM 595 CE2 TYR A 404 10.832 -4.035 -13.893 1.00 0.00 C ATOM 596 CZ TYR A 404 11.566 -3.045 -14.513 1.00 0.00 C ATOM 597 OH TYR A 404 12.900 -3.249 -14.781 1.00 0.00 O ATOM 0 H TYR A 404 5.027 -1.727 -13.641 1.00 0.00 H new ATOM 0 HA TYR A 404 6.962 -1.908 -15.717 1.00 0.00 H new ATOM 0 HB2 TYR A 404 7.280 -1.429 -13.212 1.00 0.00 H new ATOM 0 HB3 TYR A 404 7.070 -3.149 -12.948 1.00 0.00 H new ATOM 0 HD1 TYR A 404 9.168 -0.715 -14.867 1.00 0.00 H new ATOM 0 HD2 TYR A 404 8.921 -4.602 -13.141 1.00 0.00 H new ATOM 0 HE1 TYR A 404 11.547 -1.079 -15.351 1.00 0.00 H new ATOM 0 HE2 TYR A 404 11.301 -4.968 -13.618 1.00 0.00 H new ATOM 0 HH TYR A 404 13.164 -4.140 -14.469 1.00 0.00 H new ATOM 607 N GLN A 405 6.954 -4.231 -16.540 1.00 0.00 N ATOM 608 CA GLN A 405 6.909 -5.580 -17.093 1.00 0.00 C ATOM 609 C GLN A 405 8.051 -6.430 -16.545 1.00 0.00 C ATOM 610 O GLN A 405 9.102 -6.554 -17.173 1.00 0.00 O ATOM 611 CB GLN A 405 6.982 -5.531 -18.620 1.00 0.00 C ATOM 612 CG GLN A 405 5.639 -5.273 -19.285 1.00 0.00 C ATOM 613 CD GLN A 405 5.220 -3.818 -19.210 1.00 0.00 C ATOM 614 OE1 GLN A 405 6.057 -2.925 -19.074 1.00 0.00 O ATOM 615 NE2 GLN A 405 3.918 -3.571 -19.298 1.00 0.00 N ATOM 0 H GLN A 405 7.448 -3.553 -17.120 1.00 0.00 H new ATOM 0 HA GLN A 405 5.965 -6.036 -16.796 1.00 0.00 H new ATOM 0 HB2 GLN A 405 7.681 -4.750 -18.917 1.00 0.00 H new ATOM 0 HB3 GLN A 405 7.384 -6.475 -18.987 1.00 0.00 H new ATOM 0 HG2 GLN A 405 5.691 -5.579 -20.330 1.00 0.00 H new ATOM 0 HG3 GLN A 405 4.878 -5.891 -18.809 1.00 0.00 H new ATOM 0 HE21 GLN A 405 3.259 -4.342 -19.410 1.00 0.00 H new ATOM 0 HE22 GLN A 405 3.577 -2.611 -19.253 1.00 0.00 H new ATOM 624 N SER A 406 7.836 -7.014 -15.370 1.00 0.00 N ATOM 625 CA SER A 406 8.849 -7.850 -14.735 1.00 0.00 C ATOM 626 C SER A 406 8.641 -9.319 -15.090 1.00 0.00 C ATOM 627 O SER A 406 7.859 -10.020 -14.449 1.00 0.00 O ATOM 628 CB SER A 406 8.810 -7.670 -13.217 1.00 0.00 C ATOM 629 OG SER A 406 9.875 -8.367 -12.593 1.00 0.00 O ATOM 0 H SER A 406 6.970 -6.924 -14.839 1.00 0.00 H new ATOM 0 HA SER A 406 9.826 -7.539 -15.106 1.00 0.00 H new ATOM 0 HB2 SER A 406 8.872 -6.610 -12.972 1.00 0.00 H new ATOM 0 HB3 SER A 406 7.858 -8.032 -12.829 1.00 0.00 H new ATOM 0 HG SER A 406 9.829 -8.235 -11.623 1.00 0.00 H new ATOM 635 N GLY A 407 9.348 -9.779 -16.118 1.00 0.00 N ATOM 636 CA GLY A 407 9.228 -11.162 -16.542 1.00 0.00 C ATOM 637 C GLY A 407 9.975 -11.440 -17.831 1.00 0.00 C ATOM 638 O GLY A 407 11.006 -12.113 -17.844 1.00 0.00 O ATOM 0 H GLY A 407 10.002 -9.219 -16.665 1.00 0.00 H new ATOM 0 HA2 GLY A 407 9.610 -11.814 -15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 407 8.175 -11.408 -16.676 1.00 0.00 H new ATOM 642 N PRO A 408 9.450 -10.916 -18.949 1.00 0.00 N ATOM 643 CA PRO A 408 8.222 -10.114 -18.946 1.00 0.00 C ATOM 644 C PRO A 408 6.985 -10.950 -18.639 1.00 0.00 C ATOM 645 O PRO A 408 6.776 -12.008 -19.232 1.00 0.00 O ATOM 646 CB PRO A 408 8.156 -9.564 -20.373 1.00 0.00 C ATOM 647 CG PRO A 408 8.922 -10.543 -21.193 1.00 0.00 C ATOM 648 CD PRO A 408 10.013 -11.067 -20.301 1.00 0.00 C ATOM 0 HA PRO A 408 8.240 -9.342 -18.177 1.00 0.00 H new ATOM 0 HB2 PRO A 408 7.125 -9.480 -20.717 1.00 0.00 H new ATOM 0 HB3 PRO A 408 8.595 -8.568 -20.434 1.00 0.00 H new ATOM 0 HG2 PRO A 408 8.278 -11.352 -21.538 1.00 0.00 H new ATOM 0 HG3 PRO A 408 9.339 -10.067 -22.081 1.00 0.00 H new ATOM 0 HD2 PRO A 408 10.249 -12.107 -20.524 1.00 0.00 H new ATOM 0 HD3 PRO A 408 10.936 -10.498 -20.418 1.00 0.00 H new ATOM 656 N SER A 409 6.166 -10.467 -17.710 1.00 0.00 N ATOM 657 CA SER A 409 4.950 -11.172 -17.322 1.00 0.00 C ATOM 658 C SER A 409 3.725 -10.543 -17.978 1.00 0.00 C ATOM 659 O SER A 409 2.998 -11.202 -18.722 1.00 0.00 O ATOM 660 CB SER A 409 4.791 -11.159 -15.800 1.00 0.00 C ATOM 661 OG SER A 409 4.881 -9.840 -15.290 1.00 0.00 O ATOM 0 H SER A 409 6.322 -9.591 -17.212 1.00 0.00 H new ATOM 0 HA SER A 409 5.033 -12.204 -17.663 1.00 0.00 H new ATOM 0 HB2 SER A 409 3.829 -11.593 -15.528 1.00 0.00 H new ATOM 0 HB3 SER A 409 5.561 -11.782 -15.345 1.00 0.00 H new ATOM 0 HG SER A 409 5.783 -9.686 -14.939 1.00 0.00 H new ATOM 667 N SER A 410 3.502 -9.263 -17.697 1.00 0.00 N ATOM 668 CA SER A 410 2.363 -8.545 -18.256 1.00 0.00 C ATOM 669 C SER A 410 2.439 -8.506 -19.779 1.00 0.00 C ATOM 670 O SER A 410 3.525 -8.471 -20.357 1.00 0.00 O ATOM 671 CB SER A 410 2.309 -7.120 -17.701 1.00 0.00 C ATOM 672 OG SER A 410 1.199 -6.411 -18.222 1.00 0.00 O ATOM 0 H SER A 410 4.095 -8.702 -17.086 1.00 0.00 H new ATOM 0 HA SER A 410 1.455 -9.075 -17.968 1.00 0.00 H new ATOM 0 HB2 SER A 410 2.246 -7.152 -16.613 1.00 0.00 H new ATOM 0 HB3 SER A 410 3.230 -6.594 -17.951 1.00 0.00 H new ATOM 0 HG SER A 410 1.186 -5.504 -17.851 1.00 0.00 H new ATOM 678 N GLY A 411 1.277 -8.513 -20.424 1.00 0.00 N ATOM 679 CA GLY A 411 1.233 -8.479 -21.875 1.00 0.00 C ATOM 680 C GLY A 411 -0.117 -8.036 -22.404 1.00 0.00 C ATOM 681 O GLY A 411 -0.240 -7.653 -23.567 1.00 0.00 O ATOM 0 H GLY A 411 0.365 -8.542 -19.968 1.00 0.00 H new ATOM 0 HA2 GLY A 411 2.004 -7.802 -22.243 1.00 0.00 H new ATOM 0 HA3 GLY A 411 1.466 -9.470 -22.266 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.902 -4.678 -1.653 1.00 0.00 ZN